5-amino-2-chloro-N-[2-(4,4-difluoropiperidin-1-yl)-2-(1,3-thiazol-5-yl)ethyl]benzamide

C17H19ClF2N4OS — CID 118289495

IUPAC5-amino-2-chloro-N-[2-(4,4-difluoropiperidin-1-yl)-2-(1,3-thiazol-5-yl)ethyl]benzamide
SMILESNc1ccc(Cl)c(C(=O)NCC(c2cncs2)N2CCC(F)(F)CC2)c1
InChIInChI=1S/C17H19ClF2N4OS/c18-13-2-1-11(21)7-12(13)16(25)23-8-14(15-9-22-10-26-15)24-5-3-17(19,20)4-6-24/h1-2,7,9-10,14H,3-6,8,21H2,(H,23,25)
InChIKeyPVQHMAIBKHJVTB-UHFFFAOYSA-N
MW400.88 g/mol
LogP3.58
Rot. Bonds5

About 5-amino-2-chloro-N-[2-(4,4-difluoropiperidin-1-yl)-2-(1,3-thiazol-5-yl)ethyl]benzamide

5-amino-2-chloro-N-[2-(4,4-difluoropiperidin-1-yl)-2-(1,3-thiazol-5-yl)ethyl]benzamide (PubChem CID 118289495) has the molecular formula C17H19ClF2N4OS and a molecular weight of 400.88 g/mol. Its IUPAC name is 5-amino-2-chloro-N-[2-(4,4-difluoropiperidin-1-yl)-2-(1,3-thiazol-5-yl)ethyl]benzamide.

Molecular Properties

Compound Name5-amino-2-chloro-N-[2-(4,4-difluoropiperidin-1-yl)-2-(1,3-thiazol-5-yl)ethyl]benzamide
PubChem CID118289495
Molecular FormulaC17H19ClF2N4OS
Molecular Weight400.88 g/mol
Exact Mass400.09
IUPAC Name5-amino-2-chloro-N-[2-(4,4-difluoropiperidin-1-yl)-2-(1,3-thiazol-5-yl)ethyl]benzamide
SMILESNc1ccc(Cl)c(C(=O)NCC(c2cncs2)N2CCC(F)(F)CC2)c1
InChIInChI=1S/C17H19ClF2N4OS/c18-13-2-1-11(21)7-12(13)16(25)23-8-14(15-9-22-10-26-15)24-5-3-17(19,20)4-6-24/h1-2,7,9-10,14H,3-6,8,21H2,(H,23,25)
InChIKeyPVQHMAIBKHJVTB-UHFFFAOYSA-N
XLogP3.58
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.88
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 5-amino-2-chloro-N-[2-(4,4-difluoropiperidin-1-yl)-2-(1,3-thiazol-5-yl)ethyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-chloro-3-(trifluoromethyl)phenyl]-4-[2-(pyridin-4-yl)ethyl]-1,3-thiazole-5-carboxamide
CID 23644850
2-chloro-N-[2-(4,4-difluoropiperidin-1-yl)-2-(1,3-thiazol-5-yl)ethyl]-6-methylbenzamide
CID 91827420
2-Chloro-N-thiazol-5-yl-5-(3-trifluoromethyl-benzoylamino)-benzamide
CID 23630085
2-Chloro-5-[(3-chlorobenzoyl)amino]-n-1,3-thiazol-5-ylbenzamide
CID 23630121
2-chloro-5-[(3,5-dimethylbenzoyl)amino]-N-1,3-thiazol-5-ylbenzamide
CID 23630122
2-Chloro-5-(3-chloro-benzoylamino)-N-(2-methyl-thiazol-5-yl)-benzamide
CID 23630125
2-chloro-5-[(3,5-dimethylbenzoyl)amino]-N-(2-methyl-1,3-thiazol-5-yl)benzamide
CID 23630126
2-Chloro-N-(2-methyl-thiazol-5-yl)-5-(3-trifluoromethyl-benzoylamino)-benzamide
CID 23630127
2-chloro-5-{[3-fluoro-5-(trifluoromethyl)benzoyl]amino}-N-(2-methyl-1,3-thiazol-5-yl)benzamide
CID 23630162
2-Chloro-N-(2-cyclopropyl-thiazol-5-yl)-5-(3-trifluoromethyl-benzoylamino)-benzamide
CID 44562061
2-chloro-5-[(3-chloro-5-fluorobenzoyl)amino]-N-(2-methyl-1,3-thiazol-5-yl)benzamide
CID 44562058
2-Chloro-N-(2-isopropyl-thiazol-5-yl)-5-(3-trifluoromethyl-benzoylamino)-benzamide
CID 44562059

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-chloro-N-[2-(4,4-difluoropiperidin-1-yl)-2-(1,3-thiazol-5-yl)ethyl]benzamide?
The IUPAC name of 5-amino-2-chloro-N-[2-(4,4-difluoropiperidin-1-yl)-2-(1,3-thiazol-5-yl)ethyl]benzamide (CID 118289495) is 5-amino-2-chloro-N-[2-(4,4-difluoropiperidin-1-yl)-2-(1,3-thiazol-5-yl)ethyl]benzamide.
What is the SMILES notation for 5-amino-2-chloro-N-[2-(4,4-difluoropiperidin-1-yl)-2-(1,3-thiazol-5-yl)ethyl]benzamide?
The canonical SMILES for 5-amino-2-chloro-N-[2-(4,4-difluoropiperidin-1-yl)-2-(1,3-thiazol-5-yl)ethyl]benzamide is Nc1ccc(Cl)c(C(=O)NCC(c2cncs2)N2CCC(F)(F)CC2)c1.
What is the InChIKey of 5-amino-2-chloro-N-[2-(4,4-difluoropiperidin-1-yl)-2-(1,3-thiazol-5-yl)ethyl]benzamide?
The InChIKey is PVQHMAIBKHJVTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClF2N4OS/c18-13-2-1-11(21)7-12(13)16(25)23-8-14(15-9-22-10-26-15)24-5-3-17(19,20)4-6-24/h1-2,7,9-10,14H,3-6,8,21H2,(H,23,25).
What are the key properties of 5-amino-2-chloro-N-[2-(4,4-difluoropiperidin-1-yl)-2-(1,3-thiazol-5-yl)ethyl]benzamide?
5-amino-2-chloro-N-[2-(4,4-difluoropiperidin-1-yl)-2-(1,3-thiazol-5-yl)ethyl]benzamide has a molecular weight of 400.88 g/mol, XLogP of 3.58, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-chloro-N-[2-(4,4-difluoropiperidin-1-yl)-2-(1,3-thiazol-5-yl)ethyl]benzamide is sourced from PubChem (CID 118289495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).